Geometry & MOs

Info

ID:	32409
PubChem CID:	7789918
Reduced:	NO3H11C15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	-47.1
Dipole, Da:	3.12
IP(EA), eV:	-9.54(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)COC(=O)C2=CC(=CC=C2)O

DOS

IR

Vibrations